SCHEMBL26568017

SCHEMBL26568017

Cc1cc2cc(CN(Cc3ccsc3)C(=S)NCCCN(C)C)c(=O)[nH]c2cc1C

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.66
LMNA P02545 4/20 0.66
MAPT P10636 2/20 0.66
NPC1 O15118 1/20 0.66
PKM P14618 1/20 0.66
RAB9A P51151 1/20 0.66
ALDH1A1 P00352 6/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KMT2A Q03164 3/20 0.58
MPO P05164 1/20 0.57
HPGD P15428 3/20 0.56
RAD52 P43351 3/20 0.56
POLB P06746 2/20 0.55
GAA P10253 1/20 0.54
MEN1 O00255 1/20 0.53
NSD2 O96028 1/20 0.52
RCE1 Q9Y256 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26569399 0.95 KDM4E (0.58) KDM4ELMNAMAPTNPC1PKM
SCHEMBL26568771 0.84 ALDH1A1 (0.79) KDM4ELMNAMAPTNPC1PKM
SCHEMBL5457696 0.84 RAD52 (0.65) KDM4ELMNAMAPTNPC1PKM
SCHEMBL26568013 0.82 KDM4E (0.54) KDM4ELMNAPKMALDH1A1NPSR1
SCHEMBL26116157 0.81 KDM4E (0.75) KDM4ELMNAMAPTNPC1PKM
SCHEMBL26568020 0.80 KDM4E (0.65) KDM4ELMNAMAPTNPC1PKM
SCHEMBL4071997 0.80 MPO (0.71) KDM4ELMNAMAPTNPC1PKM
SCHEMBL30593620 0.79 ALDH1A1 (0.71) KDM4ELMNAMAPTNPC1PKM
SCHEMBL26110511 0.79 ALDH1A1 (0.71) KDM4ELMNAMAPTNPC1PKM
SCHEMBL30593621 0.75 KDM4E (0.77) KDM4ELMNAMAPTALDH1A1NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023182899-A1 INHIBITORS OF INTERACTIONS BETWEEN TRF1-TIN2 OR TRF2-TIN2 TELOMERIC PROTEINS FOR USE IN ANTICANCER THERAPY Politechnika Gdańska (PL) 2023-09-28 WO disclosed